1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone

C6H10N2O — CID 174327092

IUPAC1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C=C(N)CC1
InChIInChI=1S/C6H10N2O/c1-5(9)8-3-2-6(7)4-8/h4H,2-3,7H2,1H3
InChIKeyHIMIVWQEVZYYEN-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.04
Rot. Bonds

About 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone

1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone (PubChem CID 174327092) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone
PubChem CID174327092
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C=C(N)CC1
InChIInChI=1S/C6H10N2O/c1-5(9)8-3-2-6(7)4-8/h4H,2-3,7H2,1H3
InChIKeyHIMIVWQEVZYYEN-UHFFFAOYSA-N
XLogP0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone (CID 174327092) is 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone is CC(=O)N1C=C(N)CC1.
What is the InChIKey of 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone?
The InChIKey is HIMIVWQEVZYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(9)8-3-2-6(7)4-8/h4H,2-3,7H2,1H3.
What are the key properties of 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone?
1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone has a molecular weight of 126.16 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 174327092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).